2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine

C14H12ClFN4 — CID 168591423

IUPAC2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H12ClFN4/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-19-20-14(17)18/h1-8H,(H4,17,18,20)
InChIKeyMPYYUADMPNGEDN-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.75
Rot. Bonds3

About 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine

2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine (PubChem CID 168591423) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
PubChem CID168591423
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H12ClFN4/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-19-20-14(17)18/h1-8H,(H4,17,18,20)
InChIKeyMPYYUADMPNGEDN-UHFFFAOYSA-N
XLogP2.75
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
CID 168533832
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine
CID 137394709
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(E)-benzylideneamino]guanidine;2-[(E)-(2-chloro-4,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine
CID 172956767
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
CID 172941482
CID 172941482
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine (CID 168591423) is 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine?
The InChIKey is MPYYUADMPNGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-19-20-14(17)18/h1-8H,(H4,17,18,20).
What are the key properties of 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine?
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine has a molecular weight of 290.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).